1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C18H15ClFN3O — CID 8893300

IUPAC1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O/c1-12-16(18(24)21-15-9-7-14(20)8-10-15)17(19)23(22-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyZXWNNKJFEGFPPU-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.28
Rot. Bonds4

About 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 8893300) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID8893300
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15ClFN3O/c1-12-16(18(24)21-15-9-7-14(20)8-10-15)17(19)23(22-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,24)
InChIKeyZXWNNKJFEGFPPU-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
N-[4-(carbamoylamino)phenyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 33155398
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55796545
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
5-chloro-1-[(4-fluorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 26018248
N-(3-carbamoylphenyl)-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46530418
1-benzyl-5-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methylpyrazole-4-carboxamide
CID 32942611
methyl 2-[[4-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396902

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 8893300) is 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is ZXWNNKJFEGFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12-16(18(24)21-15-9-7-14(20)8-10-15)17(19)23(22-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 8893300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).